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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > 3-(2-(diethylamino)ethyl)-5-phenylisoxazole citrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 3-(2-(diethylamino)ethyl)-5-phenylisoxazole citrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > 3-(2-(diethylamino)ethyl)-5-phenylisoxazole citrate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > 3-(2-(diethylamino)ethyl)-5-phenylisoxazole citrate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 3-(2-(diethylamino)ethyl)-5-phenylisoxazole citrate

Preferred term

3-(2-(diethylamino)ethyl)-5-phenylisoxazole citrate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C15H21N2O.C6H7O7

inchi

  • InChI=1S/C15H20N2O.C6H8O7/c1-3-17(4-2)11-10-14-12-15(18-16-14)13-8-6-5-7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,12H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

inchikey

  • MBRCQFGYINKZOH-UHFFFAOYSA-N

mass

  • 436.461

monoisotopicmass

  • 436.18457

smiles

  • O1N=C(CC[NH+](CC)CC)C=C1C2=CC=CC=C2.OC(CC(O)=O)(CC(O)=O)C([O-])=O

subset

  • 2_STAR

synonym EXACT

  • 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.diethyl-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]azanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192393

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